SCHEMBL4127465

SCHEMBL4127465

Cc1cc2c(cc1C)C(O)N(c1cccc(F)c1)C2=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ATM Q13315 1/20 0.42
HSD11B1 P28845 1/20 0.39
RAB9A P51151 5/20 0.39
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 1/20 0.39
FAAH O00519 1/20 0.39
MGLL Q99685 1/20 0.39
ALOX5 P09917 1/20 0.39
PGR P06401 1/20 0.38
POLB P06746 1/20 0.37
GFER P55789 1/20 0.37
NOTUM Q6P988 1/20 0.37
NPC1 O15118 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
TP53 P04637 2/20 0.37
PKM P14618 2/20 0.37
TSHR P16473 1/20 0.37
IDO1 P14902 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4109515 0.85 RAB9A (0.45) MEN1KMT2AATMHSD11B1RAB9A
SCHEMBL4110694 0.83 NOTUM (0.40) HSD11B1ALDH1A1FAAHMGLLALOX5
SCHEMBL4117022 0.81 FAAH (0.39) MEN1KMT2AHSD11B1ALDH1A1HSD17B10
SCHEMBL4118353 0.80 NOTUM (0.38) MEN1KMT2AHSD11B1ALDH1A1ALOX5
SCHEMBL4117459 0.78 NOTUM (0.37) HSD11B1RAB9AALDH1A1POLBNOTUM
SCHEMBL4130006 0.77 CYP11B2 (0.51) MEN1KMT2AATMRAB9AALDH1A1
SCHEMBL4115204 0.76 ALDH1A1 (0.45) MEN1KMT2ARAB9AALDH1A1HSD17B10
SCHEMBL3745282 0.76 ATM (0.43) KMT2AATMFAAHPOLBTP53
SCHEMBL4117410 0.74 FAAH (0.41) KMT2AATMALDH1A1FAAHSMN1; SMN2
SCHEMBL28956510 0.74 RAB9A (0.67) MEN1KMT2AATMHSD11B1RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1566378-B1 ISOINDOLINE DERIVATIVE MARUISHI PHARMA (JP) 2012-08-15 EP disclosed
CN-100548980-C The isoindoline derivative MARUISHI PHARMA (JP) 2009-10-14 CN disclosed
US-20090170835-A1 ISOINDOLINE DERIVATIVES MARUISHI PHARMACEUTICAL CO., LTD. 2009-07-02 US disclosed
US-7521451-B2 Isoindoline derivative MARUISHI PHARMACEUTICAL CO., LTD. (JP) 2009-04-21 US disclosed
US-20080021042-A1 Composition For Controlling Neuropathic Pain MARUISHI PHARMACEUTICAL CO., LTD. (JP) 2008-01-24 US disclosed
EP-1749817-A1 NEUROGENIC PAIN CONTROL AGENT COMPOSITION Maruishi Pharmaceutical Co., Ltd. (JP) 2007-02-07 EP disclosed
US-20060052392-A1 e.g. 5,6-dimethyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione;intravenous, water-soluble compounds useful for manufacturing an anasthetic, sedative agents; side effect reduction MARUISHI PHARMACEUTICAL CO., LTD 2006-03-09 US disclosed
CN-1741995-A Isoindoline derivative MARUISHI PHARMA (JP) 2006-03-01 CN disclosed
EP-1566378-A1 ISOINDOLINE DERIVATIVE Maruishi Pharmaceutical Co., Ltd. (JP) 2005-08-24 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060052392-A1 e.g. 5,6-dimethyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione;intravenous, water-soluble compounds useful for manufacturing an anasthetic, sedative agents; side effect reduction CYP3A5, OPRD1, CYP3A7 MEN1 3038/4885KMT2A 1256/4885ATM 2769/4885
US-20080021042-A1 Composition For Controlling Neuropathic Pain GAP43, SCN10A, SCN2A MEN1 4386/4885KMT2A 3630/4885ATM 3983/4885
US-20090170835-A1 ISOINDOLINE DERIVATIVES OPRD1, OPRK1, OPRL1 MEN1 4458/4885KMT2A 1230/4885ATM 3107/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.